SCHEMBL9504640

SCHEMBL9504640

CCCN(C(C)=O)C(Oc1c(C)cccc1C)C1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
PTPN1 P18031 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
PTGER1 P34995 1/20 0.34
GHSR Q92847 1/20 0.34
AGTR2 P50052 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
SLC6A5 Q9Y345 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9503481 0.92 AGTR2 (0.40) TRPM8AGTR2
SCHEMBL9507079 0.82 ADRA2A (0.39)
SCHEMBL9504636 0.73 TAOK1 (0.38) PTGER4PTGER3PTGER2PTPN1TAOK1
SCHEMBL9504633 0.71 PTGER4 (0.37) PTGER4PTGER3PTGER2TRPM8PTPN1
SCHEMBL21091908 0.70 KMT2A (0.51) PTPN1RXRARXRBRXRG
SCHEMBL21091907 0.70 KMT2A (0.51) PTPN1RXRARXRBRXRG
SCHEMBL9503474 0.66 NPC1 (0.40) AGTR2
SCHEMBL9503470 0.65 CA1 (0.40) AGTR2
SCHEMBL8548581 0.64 CA1 (0.47) PTPN1TAOK1TAOK3AGTR2
SCHEMBL11214829 0.64 BCHE (0.44)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321968-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-5151414-A Hypotensive agents SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-09-29 US disclosed
US-5070106-A HYPOTENSIVES, CEREBRAL DISORDERS SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-03 US disclosed
EP-0321968-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed